2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23NO6S/c1-23-17-9-13(10-18(24-2)20(17)25-3)21-19(22)12-28-14-5-6-15-16(11-14)27-8-4-7-26-15/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,21,22)